N-(3-ethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-ethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide CAS Name: N-(3-ethylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-2-17-9-6-10-19(15-17)23-21(28)26-11-13-27(14-12-26)22-24-20(25-29-22)16-18-7-4-3-5-8-18/h3-10,15H,2,11-14,16H2,1H3,(H,23,28)